ethane;N-ethenyl-1-ethylpyrimidin-2-imine

C10H17N3 — CID 143234739

IUPACethane;N-ethenyl-1-ethylpyrimidin-2-imine
SMILESC=C/N=c1\ncccn1CC.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-9-8-10-6-5-7-11(8)4-2;1-2/h3,5-7H,1,4H2,2H3;1-2H3/b9-8+;
InChIKeyYHGDESDDFXQMOE-HRNDJLQDSA-N
MW179.27 g/mol
LogP1.97
Rot. Bonds2

About ethane;N-ethenyl-1-ethylpyrimidin-2-imine

ethane;N-ethenyl-1-ethylpyrimidin-2-imine (PubChem CID 143234739) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;N-ethenyl-1-ethylpyrimidin-2-imine.

Molecular Properties

Compound Nameethane;N-ethenyl-1-ethylpyrimidin-2-imine
PubChem CID143234739
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;N-ethenyl-1-ethylpyrimidin-2-imine
SMILESC=C/N=c1\ncccn1CC.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-9-8-10-6-5-7-11(8)4-2;1-2/h3,5-7H,1,4H2,2H3;1-2H3/b9-8+;
InChIKeyYHGDESDDFXQMOE-HRNDJLQDSA-N
XLogP1.97
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-1-ethylpyrimidin-2-imine?
The IUPAC name of ethane;N-ethenyl-1-ethylpyrimidin-2-imine (CID 143234739) is ethane;N-ethenyl-1-ethylpyrimidin-2-imine.
What is the SMILES notation for ethane;N-ethenyl-1-ethylpyrimidin-2-imine?
The canonical SMILES for ethane;N-ethenyl-1-ethylpyrimidin-2-imine is C=C/N=c1\ncccn1CC.CC.
What is the InChIKey of ethane;N-ethenyl-1-ethylpyrimidin-2-imine?
The InChIKey is YHGDESDDFXQMOE-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-3-9-8-10-6-5-7-11(8)4-2;1-2/h3,5-7H,1,4H2,2H3;1-2H3/b9-8+;.
What are the key properties of ethane;N-ethenyl-1-ethylpyrimidin-2-imine?
ethane;N-ethenyl-1-ethylpyrimidin-2-imine has a molecular weight of 179.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-1-ethylpyrimidin-2-imine is sourced from PubChem (CID 143234739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).